(2S,3S)-3-methyl-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]pentanoic acid Openeye Name: (2S,3S)-2-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]pentanoic acid IUPAC Name: (2S,3S)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-3-methyl-valeric acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-3-12(2)16(18(24)25)19-17(23)14-9-10-15(22)21(20-14)11-13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3,(H,19,23)(H,24,25)/t12-,16-/m0/s1